Chemical Properties of Succinic acid, 1,1,1-trifluoroprop-2-yl neryl ester

InChI

InChI=1S/C17H25F3O4/c1-12(2)6-5-7-13(3)10-11-23-15(21)8-9-16(22)24-14(4)17(18,19)20/h6,10,14H,5,7-9,11H2,1-4H3/b13-10-

InChI Key

XSNRVDTXUWIVPF-RAXLEYEMSA-N

Formula

C17H25F3O4

SMILES

CC(C)=CCCC(C)=CCOC(=O)CCC(=O)OC(C)C(F)(F)F

Molecular Weight¹

350.37

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-816.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-1271.31	kJ/mol	Joback Calculated Property
ΔfusH°	41.45	kJ/mol	Joback Calculated Property
ΔvapH°	67.69	kJ/mol	Joback Calculated Property
log10WS	-5.15		Crippen Calculated Property
logPoct/wat	4.497		Crippen Calculated Property
McVol	261.980	ml/mol	McGowan Calculated Property
Pc	1320.39	kPa	Joback Calculated Property
Inp	[1812.00; 1812.00]
Inp	1812.00		NIST
Inp	1812.00		NIST
Tboil	743.16	K	Joback Calculated Property
Tc	925.18	K	Joback Calculated Property
Tfus	376.78	K	Joback Calculated Property
Vc	1.034	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[768.16; 847.46]	J/mol×K	[743.16; 925.18]
Cp,gas	768.16	J/mol×K	743.16	Joback Calculated Property
Cp,gas	783.35	J/mol×K	773.50	Joback Calculated Property
Cp,gas	797.69	J/mol×K	803.83	Joback Calculated Property
Cp,gas	811.23	J/mol×K	834.17	Joback Calculated Property
Cp,gas	824.01	J/mol×K	864.51	Joback Calculated Property
Cp,gas	836.07	J/mol×K	894.85	Joback Calculated Property
Cp,gas	847.46	J/mol×K	925.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 1,1,1-trifluoroprop-2-yl neryl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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